SCHEMBL3793229

SCHEMBL3793229

NCc1cccc(-c2ccccc2N)c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
DPP4 P27487 3/20 0.47
PNMT P11086 3/20 0.43
HSD17B10 Q99714 1/20 0.41
IDO1 P14902 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
PTPRC P08575 1/20 0.35
ADORA2A P29274 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3790601 0.85 ALDH1A1 (0.62) ALDH1A1L3MBTL1DPP4PNMTHSD17B10
SCHEMBL3786241 0.82 ALDH1A1 (0.52) ALDH1A1L3MBTL1DPP4HSD17B10IDO1
SCHEMBL1352808 0.80 PNMT (0.46) ALDH1A1L3MBTL1DPP4PNMTHSD17B10
SCHEMBL11654081 0.79 ALDH1A1 (0.77) ALDH1A1L3MBTL1HSD17B10IDO1SMN1; SMN2
SCHEMBL3785160 0.79 ALDH1A1 (0.48) ALDH1A1L3MBTL1DPP4PNMTHSD17B10
SCHEMBL3787555 0.79 DPP4 (0.69) ALDH1A1DPP4PNMTHSD17B10CYP3A4
SCHEMBL19865181 0.78 DPP4 (0.39) ALDH1A1DPP4PNMTHSD17B10CYP3A4
SCHEMBL3386913 0.77 GABRA1 (0.50) ALDH1A1L3MBTL1HSD17B10IDO1CYP3A4
SCHEMBL2224609 0.77 ALDH1A1 (0.72) ALDH1A1L3MBTL1HSD17B10IDO1SMN1; SMN2
SCHEMBL10715050 0.76 AKR1B1 (0.48) ALDH1A1L3MBTL1HSD17B10HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 ALDH1A1 4339/4885L3MBTL1 3838/4885DPP4 3267/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.